V3AuN
Alexandria ALEXAlex-ID: agm003109331 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_3460_spg11
V3Au2 V2N Au
2020-07-04 12:03:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003109331).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm003109331
data_agm003109331
_cell_length_a 11.85906
_cell_length_b 2.87350
_cell_length_c 4.03824
_cell_angle_alpha 89.99901
_cell_angle_beta 109.91087
_cell_angle_gamma 79.87799
_cell_volume 127.10444
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
N1 N 0.74135 0.17241 0.80158 1.00000
N2 N 0.11285 0.14932 0.67294 1.00000
Au1 Au 0.49753 0.35654 0.05769 1.00000
Au2 Au 0.35667 0.96517 0.41677 1.00000
V1 V 0.09949 0.12784 0.15964 1.00000
V2 V 0.23219 0.55098 0.79241 1.00000
V3 V 0.86996 0.56497 0.93019 1.00000
V4 V 0.62201 0.77086 0.68205 1.00000
V5 V 0.75470 0.19379 0.31488 1.00000
V6 V 0.98424 0.75663 0.54434 1.00000
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